3-[5-methyl-2-(1-naphthylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]benzoic acid

HCID 136334115
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Basic information

Standard SMILES
Cn1c(=O)[nH]c2nn(Cc3cccc4ccccc34)c(-c3cccc(C(=O)O)c3)c2c1=O
InChIKey
YUHAXCZBONQYOO-UHFFFAOYSA-N
Molecular formula
C24H18N4O4
Average molar mass
426.4 g/mol

Names & identifiers

Preferred name
3-[5-methyl-2-(1-naphthylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]benzoic acid
IUPAC
3-[5-methyl-2-(naphthalen-1-ylmethyl)-4,6-dioxo-7H-pyrazolo[3,4-d]pyrimidin-3-yl]benzoic acid

Names & synonyms

SCHEMBL5403870YUHAXCZBONQYOO-UHFFFAOYSA-N3-[5-methyl-2-(1-naphthylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]benzoic acid

Database identifiers

PubChem CID
136334115

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
105 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
32

Related reactions

5 records
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Compound notes

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